Molecule

ID:29227

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀ClNO
Molecular Mass
289.7998
Exact Mass
289.12334195
Charge
0
InChI
InChI=1S/C17H20ClNO/c1-12(2)20-16-6-4-5-14(9-16)11-19-17-10-15(18)8-7-13(17)3/h4-10,12,19H,11H2,1-3H3
InChIKey
AFURYTCCPVIEIY-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1cccc(c1)CNc1cc(Cl)ccc1C)C
Isomeric Smiles
c1(NCc2cc(OC(C)C)ccc2)cc(ccc1C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.9008036
LogD (pH = 7.4)
4.9036384
Log P
4.9036746
Molar Refractivity
86.341
Polarizability
32.72918
Polar Surface Area
21.26
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation